ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
2
3
4
5
6
7
8
...
10
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2021	/N_sulfonylguanidine n4-ts2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2573.33985729; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-ts1-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1631.26952681; Eh
	11-Apr-2021	/N_sulfonylguanidine cn-tbu-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-463.170262101; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-ts2-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2135.29903055; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-i1add-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1338.54297115; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i3-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19869286; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-i3-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1631.33490840; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-i4-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-2213.92092450; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i5-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.95768578; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i3-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.93160888; Eh

Results 41-50 of 94 (Search time: 0.002 seconds).